First principles calculations of hydrogen storage on Cu and Pd-decorated graphene

Aditya Choudhary; Linu Malakkal; Ravi Kiran Siripurapu; Barbara Szpunar; Jerzy A. Szpunar

doi:10.1016/j.ijhydene.2016.07.147

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First principles calculations of hydrogen storage on Cu and Pd-decorated graphene

Aditya Choudhary Linu Malakkal Ravi Kiran Siripurapu Barbara Szpunar Jerzy A. Szpunar

Year: 2016 Journal: International Journal of Hydrogen Energy Vol: 41 (39)Pages: 17652-17656 Publisher: Elsevier BV

DOI: 10.1016/j.ijhydene.2016.07.147

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Keywords:

Graphene Hydrogen storage Density functional theory Materials science Hydrogen Vacancy defect Palladium Valence (chemistry) Ionic bonding Valence electron Chemistry Electron Computational chemistry Nanotechnology Crystallography Ion Physics Quantum mechanics

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Hydrogen Storage and Materials

Physical Sciences → Materials Science → Materials Chemistry

Graphene research and applications

Physical Sciences → Materials Science → Materials Chemistry

Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

First principles calculations of hydrogen storage on Cu and Pd-decorated graphene

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